CAS RN: 5839-68-9
CAS Name: 4-hexoxy-3-(methylsulfonylmethyl)aniline
OPENEYE Name: 4-hexoxy-3-(methylsulfonylmethyl)aniline
IUPAC Name: 4-hexoxy-3-(methylsulfonylmethyl)aniline
SYSTEMATIC NAME: 4-hexoxy-3-(methylsulfonylmethyl)aniline
MOLECULAR FORMULA: C14H23NO3S
MOLECULAR WEIGHT: 285.40232
SMILES: CCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
Structure:
CAS RN: 5838-00-6
CAS Name: 2-(trifluoromethyl)propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-(trifluoromethyl)propanedioate
IUPAC Name: dimethyl 2-(trifluoromethyl)propanedioate
SYSTEMATIC NAME: dimethyl 2-(trifluoromethyl)propanedioate
MOLECULAR FORMULA: C6H7F3O4
MOLECULAR WEIGHT: 200.11259
SMILES: COC(=O)C(C(=O)OC)C(F)(F)F
Structure:
CAS RN: 5836-04-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H6Cl6O
MOLECULAR WEIGHT: 366.88274
SMILES: C1=CC2C3C(C1O2)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 5826-76-6
CAS Name: (4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane
OPENEYE Name: (4-chloro-3-nitro-phenoxy)-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: (4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (4-chloranyl-3-nitro-phenoxy)-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H9ClNO5PS
MOLECULAR WEIGHT: 297.652521
SMILES: COP(=S)(OC)OC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Structure:
CAS RN: 5823-25-6
CAS Name: 2-diethoxyphosphinothioyloxyacetic acid ethyl ester
OPENEYE Name: ethyl 2-diethoxyphosphinothioyloxyacetate
IUPAC Name: ethyl 2-diethoxyphosphinothioyloxyacetate
SYSTEMATIC NAME: ethyl 2-diethoxyphosphinothioyloxyethanoate
MOLECULAR FORMULA: C8H17O5PS
MOLECULAR WEIGHT: 256.256341
SMILES: CCOC(=O)COP(=S)(OCC)OCC
Structure:
CAS RN: 5823-11-0
CAS Name: 2-(butan-2-yloxymethylthio)ethoxy-diethoxy-sulfanylidenephosphorane
OPENEYE Name: diethoxy-[2-(sec-butoxymethylsulfanyl)ethoxy]-thioxo-$l^{5}-phosphane
IUPAC Name: 2-(butan-2-yloxymethylsulfanyl)ethoxy-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: 2-(butan-2-yloxymethylsulfanyl)ethoxy-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C11H25O4PS2
MOLECULAR WEIGHT: 316.417561
SMILES: CCC(C)OCSCCOP(=S)(OCC)OCC
Structure:
CAS RN: 5823-09-6
CAS Name: methyl sulfate; phosphoric acid diethyl (1-methyl-3-quinolin-1-iumyl) ester
OPENEYE Name: diethyl (1-methylquinolin-1-ium-3-yl) phosphate; methyl sulfate
IUPAC Name: diethyl (1-methylquinolin-1-ium-3-yl) phosphate; methyl sulfate
SYSTEMATIC NAME: diethyl (1-methylquinolin-1-ium-3-yl) phosphate; methyl sulfate
MOLECULAR FORMULA: C15H22NO8PS
MOLECULAR WEIGHT: 407.375841
SMILES: CCOP(=O)(OCC)OC1=CC2=CC=CC=C2[N+](=C1)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 5820-01-9
CAS Name: [4-methoxy-3-[[2-methoxy-5-[(trimethylammonio)methyl]phenyl]methyl]phenyl]methyl-trimethylammonium diiodide
OPENEYE Name: [4-methoxy-3-[[2-methoxy-5-[(trimethylammonio)methyl]phenyl]methyl]phenyl]methyl-trimethyl-ammonium diiodide
IUPAC Name: [4-methoxy-3-[[2-methoxy-5-[(trimethylazaniumyl)methyl]phenyl]methyl]phenyl]methyl-trimethylazanium diiodide
SYSTEMATIC NAME: [4-methoxy-3-[[2-methoxy-5-[(trimethylazaniumyl)methyl]phenyl]methyl]phenyl]methyl-trimethyl-azanium diiodide
MOLECULAR FORMULA: C23H36I2N2O2
MOLECULAR WEIGHT: 626.35308
SMILES: C[N+](C)(C)CC1=CC(=C(C=C1)OC)CC2=C(C=CC(=C2)C[N+](C)(C)C)OC.[I-].[I-]
Structure:
CAS RN: 5819-89-6
CAS Name: N-[(5-amino-2-octoxyphenyl)methyl]-N-methylmethanesulfonamide
OPENEYE Name: N-[(5-amino-2-octoxy-phenyl)methyl]-N-methyl-methanesulfonamide
IUPAC Name: N-[(5-amino-2-octoxyphenyl)methyl]-N-methylmethanesulfonamide
SYSTEMATIC NAME: N-[(5-azanyl-2-octoxy-phenyl)methyl]-N-methyl-methanesulfonamide
MOLECULAR FORMULA: C17H30N2O3S
MOLECULAR WEIGHT: 342.4967
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CN(C)S(=O)(=O)C
Structure:
CAS RN: 5819-88-5
CAS Name: N-[(5-amino-2-octoxyphenyl)methyl]methanesulfonamide
OPENEYE Name: N-[(5-amino-2-octoxy-phenyl)methyl]methanesulfonamide
IUPAC Name: N-[(5-amino-2-octoxyphenyl)methyl]methanesulfonamide
SYSTEMATIC NAME: N-[(5-azanyl-2-octoxy-phenyl)methyl]methanesulfonamide
MOLECULAR FORMULA: C16H28N2O3S
MOLECULAR WEIGHT: 328.47012
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CNS(=O)(=O)C
Structure:
CAS RN: 5819-87-4
CAS Name: (5-amino-2-octoxyphenyl)methylurea
OPENEYE Name: (5-amino-2-octoxy-phenyl)methylurea
IUPAC Name: (5-amino-2-octoxyphenyl)methylurea
SYSTEMATIC NAME: 1-[(5-azanyl-2-octoxy-phenyl)methyl]urea
MOLECULAR FORMULA: C16H27N3O2
MOLECULAR WEIGHT: 293.40448
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CNC(=O)N
Structure:
CAS RN: 5819-84-1
CAS Name: N-[[5-amino-2-[5-(1,3-dioxo-2-isoindolyl)pentoxy]phenyl]methyl]acetamide
OPENEYE Name: N-[[5-amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentoxy]phenyl]methyl]acetamide
IUPAC Name: N-[[5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]phenyl]methyl]acetamide
SYSTEMATIC NAME: N-[[5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentoxy]phenyl]methyl]ethanamide
MOLECULAR FORMULA: C22H25N3O4
MOLECULAR WEIGHT: 395.4516
SMILES: CC(=O)NCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5819-78-3
CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline
OPENEYE Name: 4-octoxy-3-(p-tolylsulfonylmethyl)aniline
IUPAC Name: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline
SYSTEMATIC NAME: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxy-aniline
MOLECULAR FORMULA: C22H31NO3S
MOLECULAR WEIGHT: 389.55144
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 5819-77-2
CAS Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxyaniline
OPENEYE Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxy-aniline
IUPAC Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxyaniline
SYSTEMATIC NAME: 3-[(4-chlorophenyl)sulfonylmethyl]-4-octoxy-aniline
MOLECULAR FORMULA: C21H28ClNO3S
MOLECULAR WEIGHT: 409.96992
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 5819-73-8
CAS Name: N-[4-[(5-amino-2-octoxyphenyl)methylsulfonyl]phenyl]acetamide
OPENEYE Name: N-[4-[(5-amino-2-octoxy-phenyl)methylsulfonyl]phenyl]acetamide
IUPAC Name: N-[4-[(5-amino-2-octoxyphenyl)methylsulfonyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(5-azanyl-2-octoxy-phenyl)methylsulfonyl]phenyl]ethanamide
MOLECULAR FORMULA: C23H32N2O4S
MOLECULAR WEIGHT: 432.57618
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
Structure:
CAS RN: 5819-70-5
CAS Name: 2-[(5-amino-2-octoxyphenyl)methylsulfonyl]ethanol
OPENEYE Name: 2-[(5-amino-2-octoxy-phenyl)methylsulfonyl]ethanol
IUPAC Name: 2-[(5-amino-2-octoxyphenyl)methylsulfonyl]ethanol
SYSTEMATIC NAME: 2-[(5-azanyl-2-octoxy-phenyl)methylsulfonyl]ethanol
MOLECULAR FORMULA: C17H29NO4S
MOLECULAR WEIGHT: 343.48146
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)CCO
Structure:
CAS RN: 5819-69-2
CAS Name: 3-(ethylsulfonylmethyl)-4-octoxyaniline
OPENEYE Name: 3-(ethylsulfonylmethyl)-4-octoxy-aniline
IUPAC Name: 3-(ethylsulfonylmethyl)-4-octoxyaniline
SYSTEMATIC NAME: 3-(ethylsulfonylmethyl)-4-octoxy-aniline
MOLECULAR FORMULA: C17H29NO3S
MOLECULAR WEIGHT: 327.48206
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)CC
Structure:
CAS RN: 5819-68-1
CAS Name: 2-[5-[4-amino-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-[4-amino-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-[4-amino-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-[4-azanyl-2-(methylsulfonylmethyl)phenoxy]pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H24N2O5S
MOLECULAR WEIGHT: 416.49066
SMILES: CS(=O)(=O)CC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5819-67-0
CAS Name: 3-(methylsulfonylmethyl)-4-nonoxyaniline
OPENEYE Name: 3-(methylsulfonylmethyl)-4-nonoxy-aniline
IUPAC Name: 3-(methylsulfonylmethyl)-4-nonoxyaniline
SYSTEMATIC NAME: 3-(methylsulfonylmethyl)-4-nonoxy-aniline
MOLECULAR FORMULA: C17H29NO3S
MOLECULAR WEIGHT: 327.48206
SMILES: CCCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
Structure:
CAS RN: 5819-66-9
CAS Name: 3-(methylsulfonylmethyl)-4-octoxyaniline
OPENEYE Name: 3-(methylsulfonylmethyl)-4-octoxy-aniline
IUPAC Name: 3-(methylsulfonylmethyl)-4-octoxyaniline
SYSTEMATIC NAME: 3-(methylsulfonylmethyl)-4-octoxy-aniline
MOLECULAR FORMULA: C16H27NO3S
MOLECULAR WEIGHT: 313.45548
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
Structure:
CAS RN: 5819-65-8
CAS Name: 4-heptoxy-3-(methylsulfonylmethyl)aniline
OPENEYE Name: 4-heptoxy-3-(methylsulfonylmethyl)aniline
IUPAC Name: 4-heptoxy-3-(methylsulfonylmethyl)aniline
SYSTEMATIC NAME: 4-heptoxy-3-(methylsulfonylmethyl)aniline
MOLECULAR FORMULA: C15H25NO3S
MOLECULAR WEIGHT: 299.4289
SMILES: CCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
Structure:
CAS RN: 5819-64-7
CAS Name: 3-(methylsulfonylmethyl)-4-pentoxyaniline
OPENEYE Name: 3-(methylsulfonylmethyl)-4-pentoxy-aniline
IUPAC Name: 3-(methylsulfonylmethyl)-4-pentoxyaniline
SYSTEMATIC NAME: 3-(methylsulfonylmethyl)-4-pentoxy-aniline
MOLECULAR FORMULA: C13H21NO3S
MOLECULAR WEIGHT: 271.37574
SMILES: CCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
Structure:
CAS RN: 5819-63-6
CAS Name: 4-butoxy-3-(methylsulfonylmethyl)aniline
OPENEYE Name: 4-butoxy-3-(methylsulfonylmethyl)aniline
IUPAC Name: 4-butoxy-3-(methylsulfonylmethyl)aniline
SYSTEMATIC NAME: 4-butoxy-3-(methylsulfonylmethyl)aniline
MOLECULAR FORMULA: C12H19NO3S
MOLECULAR WEIGHT: 257.34916
SMILES: CCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
Structure:
CAS RN: 5819-61-4
CAS Name: 3-(methylsulfinylmethyl)-4-octoxyaniline
OPENEYE Name: 3-(methylsulfinylmethyl)-4-octoxy-aniline
IUPAC Name: 3-(methylsulfinylmethyl)-4-octoxyaniline
SYSTEMATIC NAME: 3-(methylsulfinylmethyl)-4-octoxy-aniline
MOLECULAR FORMULA: C16H27NO2S
MOLECULAR WEIGHT: 297.45608
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)C
Structure:
CAS RN: 5819-60-3
CAS Name: methanesulfonic acid; 4-octoxy-3-[(phenylthio)methyl]aniline
OPENEYE Name: methanesulfonic acid; 4-octoxy-3-(phenylsulfanylmethyl)aniline
IUPAC Name: methanesulfonic acid; 4-octoxy-3-(phenylsulfanylmethyl)aniline
SYSTEMATIC NAME: methanesulfonic acid; 4-octoxy-3-(phenylsulfanylmethyl)aniline
MOLECULAR FORMULA: C22H33NO4S2
MOLECULAR WEIGHT: 439.63172
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CSC2=CC=CC=C2.CS(=O)(=O)O
Structure:
CAS RN: 5819-57-8
CAS Name: 2-[(5-amino-2-octoxyphenyl)methylthio]ethanol
OPENEYE Name: 2-[(5-amino-2-octoxy-phenyl)methylsulfanyl]ethanol
IUPAC Name: 2-[(5-amino-2-octoxyphenyl)methylsulfanyl]ethanol
SYSTEMATIC NAME: 2-[(5-azanyl-2-octoxy-phenyl)methylsulfanyl]ethanol
MOLECULAR FORMULA: C17H29NO2S
MOLECULAR WEIGHT: 311.48266
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CSCCO
Structure:
CAS RN: 5819-56-7
CAS Name: 4-octoxy-3-[(propylthio)methyl]aniline hydrochloride
OPENEYE Name: 4-octoxy-3-(propylsulfanylmethyl)aniline hydrochloride
IUPAC Name: 4-octoxy-3-(propylsulfanylmethyl)aniline hydrochloride
SYSTEMATIC NAME: 4-octoxy-3-(propylsulfanylmethyl)aniline hydrochloride
MOLECULAR FORMULA: C18H32ClNOS
MOLECULAR WEIGHT: 345.97078
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CSCCC.Cl
Structure:
CAS RN: 5819-55-6
CAS Name: 3-[(ethylthio)methyl]-4-octoxyaniline; methanesulfonic acid
OPENEYE Name: 3-(ethylsulfanylmethyl)-4-octoxy-aniline; methanesulfonic acid
IUPAC Name: 3-(ethylsulfanylmethyl)-4-octoxyaniline; methanesulfonic acid
SYSTEMATIC NAME: 3-(ethylsulfanylmethyl)-4-octoxy-aniline; methanesulfonic acid
MOLECULAR FORMULA: C18H33NO4S2
MOLECULAR WEIGHT: 391.58892
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)CSCC.CS(=O)(=O)O
Structure:
CAS RN: 5814-41-5
CAS Name: 5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
OPENEYE Name: 5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
IUPAC Name: 5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C13H10N2O
MOLECULAR WEIGHT: 210.2313
SMILES: C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2
Structure:
CAS RN: 5813-72-9
CAS Name: ethanethioic acid S-(methylthio) ester
OPENEYE Name: S-methylsulfanyl ethanethioate
IUPAC Name: S-methylsulfanyl ethanethioate
SYSTEMATIC NAME: S-methylsulfanyl ethanethioate
MOLECULAR FORMULA: C3H6OS2
MOLECULAR WEIGHT: 122.20914
SMILES: CC(=O)SSC
Structure:
CAS RN: 5813-25-2
CAS Name: 2-hydroxy-2-(methylthio)indene-1,3-dione
OPENEYE Name: 2-hydroxy-2-methylsulfanyl-indane-1,3-dione
IUPAC Name: 2-hydroxy-2-methylsulfanylindene-1,3-dione
SYSTEMATIC NAME: 2-methylsulfanyl-2-oxidanyl-indene-1,3-dione
MOLECULAR FORMULA: C10H8O3S
MOLECULAR WEIGHT: 208.23372
SMILES: CSC1(C(=O)C2=CC=CC=C2C1=O)O
Structure:
CAS RN: 5810-96-8
CAS Name: 1H-benzo[f]indole-2,3-dione
OPENEYE Name: 1H-benzo[f]indole-2,3-dione
IUPAC Name: 1H-benzo[f]indole-2,3-dione
SYSTEMATIC NAME: 1H-benzo[f]indole-2,3-dione
MOLECULAR FORMULA: C12H7NO2
MOLECULAR WEIGHT: 197.18948
SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C(=O)N3
Structure:
CAS RN: 5804-50-2
CAS Name: 2-[5-(4-amino-2-ethylphenoxy)pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-(4-amino-2-ethyl-phenoxy)pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-(4-amino-2-ethylphenoxy)pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-(4-azanyl-2-ethyl-phenoxy)pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5804-10-4
CAS Name: 3-[(4-amino-2-methoxyphenoxy)methyl]-4-octoxyaniline
OPENEYE Name: 3-[(4-amino-2-methoxy-phenoxy)methyl]-4-octoxy-aniline
IUPAC Name: 3-[(4-amino-2-methoxyphenoxy)methyl]-4-octoxyaniline
SYSTEMATIC NAME: 3-[(4-azanyl-2-methoxy-phenoxy)methyl]-4-octoxy-aniline
MOLECULAR FORMULA: C22H32N2O3
MOLECULAR WEIGHT: 372.50108
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)COC2=C(C=C(C=C2)N)OC
Structure:
CAS RN: 5804-08-0
CAS Name: 2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline
OPENEYE Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline
IUPAC Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline
SYSTEMATIC NAME: 2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline
MOLECULAR FORMULA: C38H49NO10
MOLECULAR WEIGHT: 679.79636
SMILES: CCCCCCCCOC1=C(C=C(C=C1)N)COCCC.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
Structure:
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